Hi, Well, as has been pointed out before nm\S2\N stands for nm superscript 2 normal. That is correct for non mass-weigthed covariance analysis. It's just fluctuation. Why would it be kg/m2 (kg/nm2) for mass weighted? Look at the equations in the manual. It's sqrt(mass)*sqrt(mass)*nm*nm, which makes something like kg m2, or probably, in terms of Gromacs units, something like amu nm2. Work out the math!
Tsjerk On Wed, Jun 10, 2009 at 4:16 AM, Mark Abraham<mark.abra...@anu.edu.au> wrote: > Wang Qin wrote: >> >> Dear all, >> I am confused on the units of the eigenvalues calculated from g_covar >> of mass-weighted covariance matrix. From the output, it says the unit is >> "(nm\S2\N)" but from my understanding, it is supposed to be kg/m2. > > Various of the GROMACS analysis tools don't write the correct units in .xvg > output. This looks like such a case. There's a section early in the manual > that describes the GROMACS unit conventions, from which you > should be able to deduce what the units are. > > Mark > _______________________________________________ > gmx-users mailing list gmx-us...@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
